| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:52 UTC |
|---|
| Update Date | 2025-03-21 18:32:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00090441 |
|---|
| Frequency | 31.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6O4 |
|---|
| Molecular Mass | 166.0266 |
|---|
| SMILES | O=Cc1cc(C(=O)O)ccc1O |
|---|
| InChI Key | NXZBZWZORYEIJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | hydroxybenzoic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzaldehydesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsvinylogous acids |
|---|
| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidaldehydecarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidbenzaldehydeorganic oxidemonocarboxylic acid or derivativesaryl-aldehydeorganic oxygen compoundphenolhydrocarbon derivativebenzoic acidhydroxybenzaldehydeorganooxygen compound |
|---|
